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- Currently displaying 4681 - 4700 of 30614 publications
Nanoparticle surfactants for kinetically arrested photoactive assemblies to track light-induced electron transfer.
Nature Nanotechnology
(2021)
16
1121
(doi: 10.1038/s41565-021-00949-6)
Modelling the macroeconomics of a 'closing the green finance gap' scenario for an energy transition
Environmental Innovation and Societal Transitions
(2021)
40
536
(doi: 10.1016/j.eist.2021.10.006)
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TOXICOLOGY LETTERS
(2021)
350
S17
(doi: 10.17863/CAM.79048)
The Independent Volcanic Eruption Source Parameter Archive (IVESPA, version 1.0): A new observational database to support explosive eruptive column model validation and development
Journal of Volcanology and Geothermal Research
(2021)
417
107295
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
J Chem Theory Comput
(2021)
17
5684
(doi: 10.1021/acs.jctc.1c00589)
Data-Driven Research for Amorphous Materials: Towards Seamless Utilization of Publication Data in Chemical Sciences
(2021)
(doi: 10.17863/CAM.79174)
Nonhuman IAPP Variants Inhibit Human IAPP Aggregation
Protein Pept Lett
(2021)
28
963
Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?
TOXICOLOGY LETTERS
(2021)
350
S49
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
Toxicology Letters
(2021)
350
s124
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
(2021)
(doi: 10.17863/CAM.80344)
Cell morphology descriptors and gene ontology profiles improve prediction for mitochondrial toxicity
Toxicology Letters
(2021)
350
s81
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
Journal of Open Source Software
(2021)
6
3458
(doi: 10.21105/joss.03458)
The impact of pooling animal histopathology control data on the statistical detection of treatment-related findings
Toxicology Letters
(2021)
350
s63
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
Toxicology Letters
(2021)
350
s17
A transcriptomics-based new approach methodology (NAM) identifies points of departure (PoDs) of adaptive stress in HepG2 cells
TOXICOLOGY LETTERS
(2021)
350
S216
Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes using novel waveform parameters and a modified random forest algorithm
TOXICOLOGY LETTERS
(2021)
350
S61